3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine

C11H14Br2FN — CID 170865608

IUPAC3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(Br)ccc(Br)c1F
InChIInChI=1S/C11H14Br2FN/c1-15(2)7-3-4-8-9(12)5-6-10(13)11(8)14/h5-6H,3-4,7H2,1-2H3
InChIKeyFWTKOLGASCQQDK-UHFFFAOYSA-N
MW339.05 g/mol
LogP3.84
Rot. Bonds4

About 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine

3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170865608) has the molecular formula C11H14Br2FN and a molecular weight of 339.05 g/mol. Its IUPAC name is 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine
PubChem CID170865608
Molecular FormulaC11H14Br2FN
Molecular Weight339.05 g/mol
Exact Mass336.95
IUPAC Name3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(Br)ccc(Br)c1F
InChIInChI=1S/C11H14Br2FN/c1-15(2)7-3-4-8-9(12)5-6-10(13)11(8)14/h5-6H,3-4,7H2,1-2H3
InChIKeyFWTKOLGASCQQDK-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.05
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine
CID 170866135
3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine
CID 170865550
3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
CID 170865361
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
CID 170865143
3-(3-bromo-2,6-difluorophenyl)-N-methylpropan-1-amine
CID 106943498
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
N-[(3-bromo-2-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 107951105
1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
CID 69129955
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-methylaniline
CID 106268356
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine (CID 170865608) is 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1c(Br)ccc(Br)c1F.
What is the InChIKey of 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is FWTKOLGASCQQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2FN/c1-15(2)7-3-4-8-9(12)5-6-10(13)11(8)14/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine?
3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 339.05 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).